3,4-Dichlorobenzyl bromide
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3,4-Dichlorobenzyl bromide
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CAS No:
18880-04-1
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Formula:
C7H5BrCl2
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Chemical Name:
3,4-Dichlorobenzyl bromide
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Synonyms:
Benzene,4-(bromomethyl)-1,2-dichloro-;Toluene,α-bromo-3,4-dichloro-;4-(Bromomethyl)-1,2-dichlorobenzene;3,4-Dichlorobenzyl bromide;4-Bromomethyl-1,2-dichlorobenzene;1-Bromomethyl-3,4-dichlorobenzene;1,2-Dichloro-4-(bromomethyl)benzene;1307234-02-1
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CAS No:
Characteristics
0
4.2
Clear colorless to brown Liquid
1.65
115-120 °C (1 mmHg)
110 °C
1.605-1.607
Insoluble in water.
0.0169mmHg at 25°C
Safety Information
II
8
1760
3
34-22
45-36/37/39-25-61-26
C,T,N
Toxic/Corrosive/Lachrymatory
P260, P264, P270, P273, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, P501
H301
|Danger|H301 (84.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4-Dichlorobenzyl bromide Use and Manufacturing
3, 4-dichlorotoluene (6.4 g, 40 mmol), Sodium bromate (2.5 g, 16.7 mmol), sodium bromide (3.5 g, 33.6 mmol)1, 2-dichloroethane (30 mL) was added to a reaction flask equipped with a stirred, reflux condenser, thermometer and tail gas absorber, heated to reflux and rapidly added to 1/3 of the total volume of the initiator solution (0.05 g AIBN, 0.05 g of BPO was dissolved in 10 mL of 1, 2-dichloroethane), and sulfuric acid (2.5 g, 25.2 mmol of concentrated sulfuric acid diluted with 2.5 mL of water) was slowly added dropwise and the remaining initiator solution was subjected to gas chromatography, After the reaction was complete, the mixture was cooled to room temperature and saturated sodium bisulfite solution was added(10 mL), stirred to red to fade, allowed to stand, separated, and the aqueous phase was extracted twice with 1, 2-dichloroethane (10 mL x 2)And washed with saturated sodium chloride solution, dried and concentrated. The crude product was purified by column chromatography (elution solvent as petroleum ether) to give 7.7 g of 3, 4-dichlorobenzyl bromide in 81percent yield. The product was a colorless liquid;
Computed Properties
Molecular Weight:239.92
XLogP3:4.2
Rotatable Bond Count:1
Exact Mass:237.89517
Monoisotopic Mass:237.89517
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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